二氢-β-刺桐定氢溴酸盐
TL;DR: 二氢-β-刺桐定氢溴酸盐 (CAS 29734-68-7) is a chemical compound with molecular formula C16H22BrNO3 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢-β-刺桐定氢溴酸盐
(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),14-dien-4-one bromide
Also Known As: Dihydro-beta-erythroidine hydrobromide, Dihydro-beta-erythroidine hydrogen bromide, beta-ERYTHROIDINE, DIHYDRO-, HYDROBROMIDE
| Molecular Formula | C16H22BrNO3 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | -2.74 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.0783 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 29734-68-7 |
|---|---|
| SMILES | CO[C@@H]1C[C@@]23C(CC[NH+]2CCC4=C3CC(=O)OC4)C=C1.[Br-] |
| InChIKey | ITZHVVLSHDXSIJ-WDXUOIDCSA-N |
Product Overview
二氢-β-刺桐定氢溴酸盐 (CAS 29734-68-7), with molecular formula C16H22BrNO3 and molecular weight 355.08 g/mol. IUPAC: (1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),14-dien-4-one bromide.
Chemical Property Profile of 二氢-β-刺桐定氢溴酸盐
Property Insights of 二氢-β-刺桐定氢溴酸盐
The XLogP value of -2.74 indicates that 二氢-β-刺桐定氢溴酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 二氢-β-刺桐定氢溴酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢-β-刺桐定氢溴酸盐 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二氢-β-刺桐定氢溴酸盐?
The CAS number of 二氢-β-刺桐定氢溴酸盐 is 29734-68-7.
What is the molecular formula of 二氢-β-刺桐定氢溴酸盐?
The molecular formula of 二氢-β-刺桐定氢溴酸盐 is C16H22BrNO3.
What is the molecular weight of 二氢-β-刺桐定氢溴酸盐?
The molecular weight of 二氢-β-刺桐定氢溴酸盐 is 355.08 g/mol.
Where can I buy 二氢-β-刺桐定氢溴酸盐?
You can request a quote for 二氢-β-刺桐定氢溴酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢-β-刺桐定氢溴酸盐?
Yes, KEHONG BIO provides custom synthesis services for 二氢-β-刺桐定氢溴酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.